4-[(4-cyanophenyl)-(1H-1,2,4-triazol-5-yl)methyl]-2,3-dimethyl-1-benzofuran-7-carbonitrile

Systemtic Name: 4-[(4-cyanophenyl)-(1H-1,2,4-triazol-5-yl)methyl]-2,3-dimethyl-1-benzofuran-7-carbonitrile Openeye Name: 4-[(4-cyanophenyl)-(1H-1,2,4-triazol-5-yl)methyl]-2,3-dimethyl-benzofuran-7-carbonitrile CAS Name: 4-[(4-cyanophenyl)-(1H-1,2,4-triazol-5-yl)methyl]-2,3-dimethyl-7-benzofurancarbonitrile IUPAC Name: 4-[(4-cyanophenyl)-(1H-1,2,4-triazol-5-yl)methyl]-2,3-dimethyl-1-benzofuran-7-carbonitrile Traditional Name: 4-[(4-cyanophenyl)-(1H-1,2,4-triazol-5-yl)methyl]-2,3-dimethyl-benzofuran-7-carbonitrile Formula: C21H15N5O MolecularWeight: 353.3767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C=CC(=C12)C(C3=CC=C(C=C3)C#N)C4=NC=NN4)C#N)C

Isomeric SMILES

CC1=C(OC2=C(C=CC(=C12)C(C3=CC=C(C=C3)C#N)C4=NC=NN4)C#N)C

InChI

InChI=1S/C21H15N5O/c1-12-13(2)27-20-16(10-23)7-8-17(18(12)20)19(21-24-11-25-26-21)15-5-3-14(9-22)4-6-15/h3-8,11,19H,1-2H3,(H,24,25,26)